4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

C13H21N3O4S — CID 60860756

IUPAC4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCN1CCC(CNS(=O)(=O)c2cc(C(=O)O)n(C)c2)C1
InChIInChI=1S/C13H21N3O4S/c1-3-16-5-4-10(8-16)7-14-21(19,20)11-6-12(13(17)18)15(2)9-11/h6,9-10,14H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyLOHIYHDGXHPGQA-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.34
Rot. Bonds6

About 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 60860756) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID60860756
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCN1CCC(CNS(=O)(=O)c2cc(C(=O)O)n(C)c2)C1
InChIInChI=1S/C13H21N3O4S/c1-3-16-5-4-10(8-16)7-14-21(19,20)11-6-12(13(17)18)15(2)9-11/h6,9-10,14H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyLOHIYHDGXHPGQA-UHFFFAOYSA-N
XLogP0.34
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 66004509
3-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 60857196
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 60855885
4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62146860
4-(4-ethylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 16780059
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
4-(1,4-dithian-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 104654759
4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43420801
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 60857487
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106126603
6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64602628
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 60857328

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 60860756) is 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is CCN1CCC(CNS(=O)(=O)c2cc(C(=O)O)n(C)c2)C1.
What is the InChIKey of 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is LOHIYHDGXHPGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-16-5-4-10(8-16)7-14-21(19,20)11-6-12(13(17)18)15(2)9-11/h6,9-10,14H,3-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 315.39 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 60860756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).